4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine → 7-(4-chlorophenyl)-5-methyl-6-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HRID 164222Notes

Reaction equation

HRID 164222 reaction equation
[Br:1][c:2]1[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2.[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[O:45]1.[CH3:46][c:47]1[c:48]([CH2:49][n:50]2[c:51](=[O:52])[n:53]3[cH:54][cH:55][c:56](-[c:57]4[cH:58][cH:59][c:60]([C:61]#[N:62])[cH:63][cH:64]4)[c:65](-[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[c:72]3[n:73]2)[cH:74][cH:75][c:76]([C:77]([F:78])([F:79])[F:80])[n:81]1>>[c:2]1(-[c:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[c:3](-[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:4][c:5]2[n:6]([c:7]1[CH3:8])[c:9](=[O:23])[n:10]([CH2:12][c:13]1[cH:14][n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2

Participants

4

Reactant 3

HCID 27346484-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 160049094-(2-((2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-8-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzonitrileHCID 577994276-bromo-7-(4-chlorophenyl)-5-methyl-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 577993837-(4-chlorophenyl)-5-methyl-6-(pyridin-4-yl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Sources & evidence

ORD record
ord-52501eb1b03b4390b91a8a9d5ef5b739
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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